General Information of the Compound
| Compound ID |
CP0490175
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| Compound Name |
US9422293, 82B
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| Structure |
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| Formula |
C25H27F3N6
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| Molecular Weight |
468.527
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| Canonical SMILES |
CN(C)c1nc2CCN(CCc2c(NC2Cc3ccccc3C2)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C25H27F3N6/c1-33(2)24-31-21-10-13-34(23-20(25(26,27)28)8-5-11-29-23)12-9-19(21)22(32-24)30-18-14-16-6-3-4-7-17(16)15-18/h3-8,11,18H,9-10,12-15H2,1-2H3,(H,30,31,32)
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| InChIKey |
CBPZQXXTFFNIBV-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound